2-[[3-methoxy-1-(sulfanylmethyl)cyclohexyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-methoxy-1-(sulfanylmethyl)cyclohexyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-methoxy-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-(mercaptomethyl)-3-methoxycyclohexyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-methoxy-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-(mercaptomethyl)-3-methoxy-cyclohexanecarbonyl]amino]-3-phenyl-propionic acid Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCCC(C1)(CS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1CCCC(C1)(CS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H25NO4S/c1-23-14-8-5-9-18(11-14,12-24)17(22)19-15(16(20)21)10-13-6-3-2-4-7-13/h2-4,6-7,14-15,24H,5,8-12H2,1H3,(H,19,22)(H,20,21)